7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene

C20H11FO — CID 89117128

IUPAC7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene
SMILESFc1cc2ccc3c4cc5ccccc5cc4ccc3c2o1
InChIInChI=1S/C20H11FO/c21-19-11-15-6-7-16-17(20(15)22-19)8-5-14-9-12-3-1-2-4-13(12)10-18(14)16/h1-11H
InChIKeyDBSHMFHYDDPNGN-UHFFFAOYSA-N
MW286.31 g/mol
LogP6.03
Rot. Bonds

About 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene

7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene (PubChem CID 89117128) has the molecular formula C20H11FO and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene.

Molecular Properties

Compound Name7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene
PubChem CID89117128
Molecular FormulaC20H11FO
Molecular Weight286.31 g/mol
Exact Mass286.08
IUPAC Name7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene
SMILESFc1cc2ccc3c4cc5ccccc5cc4ccc3c2o1
InChIInChI=1S/C20H11FO/c21-19-11-15-6-7-16-17(20(15)22-19)8-5-14-9-12-3-1-2-4-13(12)10-18(14)16/h1-11H
InChIKeyDBSHMFHYDDPNGN-UHFFFAOYSA-N
XLogP6.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.31
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene?
The IUPAC name of 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene (CID 89117128) is 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene.
What is the SMILES notation for 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene?
The canonical SMILES for 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene is Fc1cc2ccc3c4cc5ccccc5cc4ccc3c2o1.
What is the InChIKey of 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene?
The InChIKey is DBSHMFHYDDPNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FO/c21-19-11-15-6-7-16-17(20(15)22-19)8-5-14-9-12-3-1-2-4-13(12)10-18(14)16/h1-11H.
What are the key properties of 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene?
7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene has a molecular weight of 286.31 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene is sourced from PubChem (CID 89117128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).